1. Synthesis, photophysical properties and DFT studies of the pyridine-imidazole (PyIm) Cu(I) complexes: Impact of the pyridine ring functionalized by different substituents.
- Author
-
Chai, Chaoyang, Xu, Shengxian, Wang, Jinglan, Zhao, Feng, Xia, Hongying, and Wang, Yibo
- Subjects
- *
PYRIDINE , *IMIDAZOLES , *COPPER compounds , *SUBSTITUENTS (Chemistry) , *CHEMICAL synthesis , *CHARGE transfer , *ELECTRON donor-acceptor complexes , *DENSITY functional theory - Abstract
Graphical abstract Highlights • Copper (I) complexes containing pyridine-imidazole ligands were synthesized. • Different substituents such as bromide, methyl, and phenyl groups were functionalized onto the pyridine ring. • Efficient green-yellow emission was achieved with emission wavelength of 547–569 nm and quantum yields of 24.8–53.0%. • DFT and TDDFT methods were employed to explain the experimental results. Abstract A series of the pyridine-imidazole (PyIm) Cu(I) complexes with different substituents (bromide (P1), methyl (P2), and phenyl (P3)) attached on the pyridine ring are synthesized and characterized. All the complexes show the typical metal-to-ligand charge transfer (MLCT) absorption in the visible region. Complex P1 with an electron-withdrawing substituent on the pyridine ring, e.g., a bromine group, shows a red shift of the emission wavelength. Conversely, an electron-donating substituent on the pyridine ring in complex P2 , e.g., a methyl group, shifts the emission to longer wavelength. Similarly, complex P3 containing the extended π-conjugation system of the ligand also exhibits a red shift of the emission wavelength. All of the complexes exhibit efficient green-yellow emission in PMMA films at room temperature with emission wavelength of 547–569 nm and quantum yields of 24.8–53.0%. Meanwhile, DFT and TDDFT methods were employed to explain the photophysical properties. [ABSTRACT FROM AUTHOR]
- Published
- 2019
- Full Text
- View/download PDF